Alternatives and similar repositories for Chroma:

Users that are interested in Chroma are comparing it to the libraries listed below

• lucidrains / neural-plexer-pytorch
  Implementation of Nvidia's NeuralPlexer, for end-to-end differentiable design of functional small-molecules and ligand-binding proteins, …
  ☆50Updated last year
• rish-16 / rna-backbone-design
  Source code for RNA-FrameFlow: SE(3) Flow Matching for 3D RNA Backbone Design
  ☆44Updated 3 weeks ago
• HannesStark / FlowSite
  Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …
  ☆94Updated 7 months ago
• divelab / GraphBP
  Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]
  ☆106Updated last year
• sab148 / MiSaTo-dataset
  ☆29Updated last year
• cieplinski-tobiasz / smina-docking-benchmark
  ☆70Updated 2 years ago
• cch1999 / posecheck
  Pose checks for 3D Structure-based Drug Design methods
  ☆79Updated 4 months ago
• Genentech / equifold
  Official code repository for EquiFold: Protein Structure Prediction with a Novel Coarse-Grained Structure Representation
  ☆120Updated 2 years ago
• DeepGraphLearning / DiffPack
  Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing
  ☆83Updated last year
• anton-bushuiev / PPIformer
  Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)
  ☆47Updated 2 months ago
• pinder-org / pinder
  PINDER: The Protein INteraction Dataset and Evaluation Resource
  ☆105Updated 4 months ago
• lucidrains / molecule-attention-transformer
  Pytorch reimplementation of Molecule Attention Transformer, which uses a transformer to tackle the graph-like structure of molecules
  ☆58Updated 4 years ago
• drorlab / DIPS
  Database of Interacting Protein Structures (DIPS)
  ☆98Updated last year
• molML / s4-for-de-novo-drug-design
  The official codebase of the paper "Chemical language modeling with structured state space sequence models"
  ☆69Updated 7 months ago
• microsoft / two-for-one-diffusion
  This Denoising Force Field (DFF) codebase provides a Pytorch framework for the method presented in Two for one: Diffusion models and forc…
  ☆57Updated 9 months ago
• ketatam / DiffDock-PP
  Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)
  ☆199Updated last year
• BenevolentAI / guacamol_baselines
  Baselines models for GuacaMol benchmarks
  ☆137Updated last year
• mirunacrt / synflownet
  A GFlowNet with a chemical synthesis action space.
  ☆47Updated last month
• Rose-STL-Lab / LIMO
  generative model for drug discovery
  ☆59Updated last year
• blondegeek / e3nn
  A modular framework for neural networks with Euclidean symmetry
  ☆11Updated 8 months ago
• ncfrey / litmatter
  Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.
  ☆70Updated last year
• learningmatter-mit / GenZProt
  ☆26Updated last year
• shuyana / DiffusionProteinLigand
  ☆79Updated last year
• prescient-design / cortex
  A Modular Architecture for Deep Learning Systems
  ☆40Updated 5 months ago
• wenhao-gao / SynNet
  ☆87Updated 2 years ago
• MinkaiXu / ConfVAE-ICML21
  An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
  ☆51Updated 3 years ago
• Profluent-Internships / MMDiff
  Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion
  ☆56Updated 10 months ago
• aspuru-guzik-group / stoned-selfies
  This repository contains code for the paper: Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discov…
  ☆122Updated 7 months ago
• guanjq / confopt_official
  The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)
  ☆36Updated 2 years ago